1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone

C19H19NO2 — CID 141065509

IUPAC1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone
SMILESCC(=O)C1=C(O)CN(c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13-8-10-16(11-9-13)20-12-17(22)18(14(2)21)19(20)15-6-4-3-5-7-15/h3-11,19,22H,12H2,1-2H3
InChIKeyQGQCHSLXPXKNCV-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.96
Rot. Bonds3

About 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone

1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone (PubChem CID 141065509) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone
PubChem CID141065509
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone
SMILESCC(=O)C1=C(O)CN(c2ccc(C)cc2)C1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13-8-10-16(11-9-13)20-12-17(22)18(14(2)21)19(20)15-6-4-3-5-7-15/h3-11,19,22H,12H2,1-2H3
InChIKeyQGQCHSLXPXKNCV-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-tert-butyl-4-hydroxy-1-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone
CID 141065529
1-[1-cyclohexyl-4-hydroxy-2-(4-methylphenyl)-2,5-dihydropyrrol-3-yl]ethanone
CID 141065497
(2R)-3-acetyl-4-hydroxy-1,2-diphenyl-2H-pyrrol-5-one
CID 790603
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 3124166
(2S)-3-acetyl-4-hydroxy-2-(3-hydroxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 51854887
4-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)benzoic acid
CID 666307
(2S,5R)-1-(4-methylphenyl)-2,5-diphenylpyrrolidin-3-one
CID 101124325
(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione
CID 7692921
1-(4-methylphenyl)-6-phenylpiperazine-2,5-dione
CID 64959343
3-acetyl-1-(2-aminoethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 583186
(2S)-4-hydroxy-1-(4-methylphenyl)-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 1046701

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone (CID 141065509) is 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone is CC(=O)C1=C(O)CN(c2ccc(C)cc2)C1c1ccccc1.
What is the InChIKey of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
The InChIKey is QGQCHSLXPXKNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-8-10-16(11-9-13)20-12-17(22)18(14(2)21)19(20)15-6-4-3-5-7-15/h3-11,19,22H,12H2,1-2H3.
What are the key properties of 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone?
1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5-dihydropyrrol-3-yl]ethanone is sourced from PubChem (CID 141065509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).